SCHEMBL4436661

SCHEMBL4436661

CCNCCc1c(C(N)=O)[nH]c2cc[c]cc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.34
HPGD P15428 2/20 0.34
SIRT1 Q96EB6 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
MDM2 Q00987 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NQO2 P16083 1/20 0.34
HDAC1 Q13547 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ATM Q13315 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4434210 0.82 HTR6 (0.44) HTR6KDM4EALDH1A1HSD17B10MEN1
SCHEMBL5670227 0.73 MAP2 (0.40) HPGDSIRT1KDM4EALDH1A1POLB
SCHEMBL2734801 0.67 NR4A2 (0.40) HPGDKDM4EALDH1A1HSD17B10MEN1
SCHEMBL7502576 0.66 HTR6 (0.50) HTR6KDM4EALDH1A1PABPC1ALOX15
SCHEMBL2838884 0.66 HTR2A (0.32) HTR2A
SCHEMBL3482936 0.64 ALDH1A1 (0.48) HPGDKDM4EALDH1A1POLBHSD17B10
SCHEMBL6430294 0.63 ALDH1A1 (0.57) HTR6HPGDKDM4EALDH1A1HSD17B10
SCHEMBL4619353 0.63 KDM4E (0.58) HTR6HPGDKDM4EALDH1A1HSD17B10
SCHEMBL15428085 0.62 ALDH1A1 (0.73) HPGDKDM4EALDH1A1POLBMDM2
SCHEMBL15428075 0.62 KDM4E (0.81) HPGDKDM4EALDH1A1POLBMDM2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125721-A1 ARYL-SUBSTITUTED SULFONAMIDES FOR THE TREATMENT OF COGNITIVE OR FOOD INGESTION RELATED DISORDERS Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-12-02 EP disclosed
WO-2008092666-A1 ARYL-SUBSTITUTED SULFONAMIDES FOR THE TREATMENT OF COGNITIVE OR FOOD INGESTION RELATED DISORDERS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-08-07 WO disclosed